Toluene → 3-(Trifluoromethyl)phenyl isocyanate

HRID 2127157Notes

Reaction equation

HRID 2127157 reaction equation
[CH3:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[Cl:1][C:2]([Cl:3])([O:4][C:5]([O:6][C:7]([Cl:8])([Cl:9])[Cl:10])=[O:11])[Cl:12].[Cl:31][CH2:32][Cl:33].[F:20][C:21]([c:22]1[cH:23][c:24]([NH2:25])[cH:26][cH:27][cH:28]1)([F:29])[F:30]>>[C:5](=[O:11])=[N:25][c:24]1[cH:23][c:22]([C:21]([F:20])([F:29])[F:30])[cH:28][cH:27][cH:26]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 73753-(Trifluoromethyl)anilineHCID 94429Triphosgene

Product 1

HCID 94833-(Trifluoromethyl)phenyl isocyanate

Sources & evidence

ORD record
ord-fa46853570ed4746b1d130e73f00a5c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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